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Specification
The molecular formula of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is C10H11NO2.
The molecular weight of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is 177.20 g/mol.
The IUPAC name of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
The InChI of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13).
The InChIKey of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is BWKMGYQJPOAASG-UHFFFAOYSA-N.
The canonical SMILES of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is C1C(NCC2=CC=CC=C21)C(=O)O.
The CAS number of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is 67123-97-1.
The XLogP3-AA value of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is -1.3.
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid has 2 hydrogen bond donor counts.
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid has 3 hydrogen bond acceptor counts.